| CAS Number | 362045-65-6 |
| Catalog Number | AG00CLSN(AGN-PC-00AYG7) |
| Chemical Name | N-Methyl-4-pyridineboronic acid iodide |
| IUPAC Name | (1-methylpyridin-1-ium-4-yl)boronic acid;iodide |
| InChI | InChI=1S/C6H9BNO2.HI/c1-8-4-2-6(3-5-8)7(9)10;/h2-5,9-10H,1H3;1H/q+1;/p-1 |
| InChI Key | DAYRZDDETQWQHL-UHFFFAOYSA-M |
| MDL Number | MFCD09952978 |
| Molecular Formula | C6H9BINO2 |
| Molecular Weight | 264.8566 |
| SMILES | C[N+]1=CC=C(B(O)O)C=C1.[I-] |
| Synonyms | 4-borono-n-methylpyridinium iodide,
362045-65-6,
N-METHYL-4-PYRIDINEBORONIC ACID IODIDE,
C6H9BNO2.I,
AKOS025293764,
FCH1396558,
ACM362045656,
OR360760,
V5501,
K-8109,
CID11529082,
(1-methylpyridin-4-yl)boronic Acid Iodide,
N-METHYL-4-PYRIDINEBORONICACIDIODIDE,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.857g/mol |
| Monoisotopic Mass | 264.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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